RefChem:1097386
TL;DR: RefChem:1097386 (CAS 19060-40-3) is a chemical compound with molecular formula C52H52N4O8S2 and molecular weight 924.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-methylbenzenesulfonate);4-[(E)-3-oxo-3-[4-(1-propylpyridin-1-ium-3-yl)anilino]prop-1-enyl]-N-[4-(1-propylpyridin-1-ium-3-yl)phenyl]benzamide
Also Known As: Pyridinium, 1-propyl-3-(p-(p-((p-(1-propylpyridinium-3-yl)phenyl)carbamoyl)cinnamamido)phenyl)-, di-p-toluenesulfonate, 4-methylbenzenesulfonate; 4-[(E)-3-oxo-3-[4-(1-propylpyridin-1-ium-3-yl)anilino]prop-1-enyl]-N-[4-(1-propylpyridin-1-ium-3-yl)phenyl]benzamide, RefChem:1097386
| Molecular Formula | C52H52N4O8S2 |
|---|---|
| Molecular Weight | 924.32 g/mol |
| LogP | 9.11804 |
| Topological Polar Surface Area | 180.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 924.32263 |
| Heavy Atoms | 66 |
| Complexity | 2885.066 |
Chemical Identifiers
| CAS Number | 19060-40-3 |
|---|---|
| SMILES | CCC[N+]1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=C[N+](=CC=C5)CCC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-] |
Product Overview
RefChem:1097386 (CAS 19060-40-3), with molecular formula C52H52N4O8S2 and molecular weight 924.32 g/mol. IUPAC: bis(4-methylbenzenesulfonate);4-[(E)-3-oxo-3-[4-(1-propylpyridin-1-ium-3-yl)anilino]prop-1-enyl]-N-[4-(1-propylpyridin-1-ium-3-yl)phenyl]benzamide.
Chemical Property Profile of RefChem:1097386
Property Insights of RefChem:1097386
The XLogP value of 9.11804 indicates that RefChem:1097386 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 180.36 Ų indicates high polarity, suggesting RefChem:1097386 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1097386 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1097386?
The CAS number of RefChem:1097386 is 19060-40-3.
What is the molecular formula of RefChem:1097386?
The molecular formula of RefChem:1097386 is C52H52N4O8S2.
What is the molecular weight of RefChem:1097386?
The molecular weight of RefChem:1097386 is 924.32 g/mol.
Where can I buy RefChem:1097386?
You can request a quote for RefChem:1097386 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097386?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097386 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.